[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3OC2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3OC2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-2-27-15-7-8-16(17(10-15)22(25)26)21-19(23)12-29-20(24)14-9-13-5-3-4-6-18(13)28-11-14/h3-8,10,14H,2,9,11-12H2,1H3,(H,21,23)